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CHEBI:65850 - 7-epiclusianone
| Formula | C33H42O4 |
| Net Charge | 0 |
| Average Mass | 502.695 |
| Monoisotopic Mass | 502.30831 |
| SMILES | CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@](CC=C(C)C)(C2=O)C1(C)C |
| InChI | InChI=1S/C33H42O4/c1-21(2)14-15-25-20-32(18-16-22(3)4)28(35)26(27(34)24-12-10-9-11-13-24)29(36)33(30(32)37,31(25,7)8)19-17-23(5)6/h9-14,16-17,25,36H,15,18-20H2,1-8H3/t25-,32-,33+/m0/s1 |
| InChIKey | LTDDHUQIMJCFPX-DZMJNENTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Garcinia brasiliensis (IPNI:77100484-1) | |||
| pericarp (BTO:0001017) | PubMed (17562491) | ||
| fruit (BTO:0000486) | PubMed (17562491) | ||
| Rheedia gardneriana (ncbitaxon:469955) | - | DOI (10.1107/S0108270198006477) |
| Roles Classification |
|---|
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. vasodilator agent A drug used to cause dilation of the blood vessels. anti-allergic agent A drug used to treat allergic reactions. trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-epiclusianone (CHEBI:65850) has role anti-allergic agent (CHEBI:50857) |
| 7-epiclusianone (CHEBI:65850) has role anti-inflammatory agent (CHEBI:67079) |
| 7-epiclusianone (CHEBI:65850) has role antibacterial agent (CHEBI:33282) |
| 7-epiclusianone (CHEBI:65850) has role metabolite (CHEBI:25212) |
| 7-epiclusianone (CHEBI:65850) has role trypanocidal drug (CHEBI:36335) |
| 7-epiclusianone (CHEBI:65850) has role vasodilator agent (CHEBI:35620) |
| 7-epiclusianone (CHEBI:65850) is a aromatic ketone (CHEBI:76224) |
| 7-epiclusianone (CHEBI:65850) is a bridged compound (CHEBI:35990) |
| 7-epiclusianone (CHEBI:65850) is a enol (CHEBI:33823) |
| 7-epiclusianone (CHEBI:65850) is a enone (CHEBI:51689) |
| IUPAC Name |
|---|
| (1R,5R,7S)-3-benzoyl-4-hydroxy-6,6-dimethyl-1,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione |
| Manual Xrefs | Databases |
|---|---|
| CN101293821 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8088873 | Reaxys |
| Citations |
|---|